N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C21H20F4N4O2 — CID 71797078

IUPACN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C21H20F4N4O2/c22-14-3-5-15(6-4-14)29-11-13(9-19(29)30)20(31)26-8-7-18-27-16(12-1-2-12)10-17(28-18)21(23,24)25/h3-6,10,12-13H,1-2,7-9,11H2,(H,26,31)
InChIKeyKTFRRLAHBLVPRG-UHFFFAOYSA-N
MW436.41 g/mol
LogP3.22
Rot. Bonds6

About N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71797078) has the molecular formula C21H20F4N4O2 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71797078
Molecular FormulaC21H20F4N4O2
Molecular Weight436.41 g/mol
Exact Mass436.15
IUPAC NameN-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C21H20F4N4O2/c22-14-3-5-15(6-4-14)29-11-13(9-19(29)30)20(31)26-8-7-18-27-16(12-1-2-12)10-17(28-18)21(23,24)25/h3-6,10,12-13H,1-2,7-9,11H2,(H,26,31)
InChIKeyKTFRRLAHBLVPRG-UHFFFAOYSA-N
XLogP3.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113188903
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3,4-difluorobenzamide
CID 71797047
(3S)-1-(4-fluorophenyl)-5-oxo-N-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 93017466
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
(3R)-1-(4-fluorophenyl)-N-[2-(methanesulfonamido)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 39040356
1-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6485185
1-(4-fluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 56803324
1-(3-chlorophenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46584016
1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
1-(4-fluorophenyl)-5-oxo-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]pyrrolidine-3-carboxamide
CID 90550599
diethyl-[3-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propyl]azanium
CID 7421023

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 71797078) is N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1nc(C2CC2)cc(C(F)(F)F)n1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KTFRRLAHBLVPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O2/c22-14-3-5-15(6-4-14)29-11-13(9-19(29)30)20(31)26-8-7-18-27-16(12-1-2-12)10-17(28-18)21(23,24)25/h3-6,10,12-13H,1-2,7-9,11H2,(H,26,31).
What are the key properties of N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71797078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).